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Aug 2026

DPχ: A Charge-Based Machine-Learning Potential Validated on the Pt(111)-Water Electrochemical Interface.

Electrocatalytic machine-learning potentials must simultaneously describe long-range electrostatics, nonlocal charge redistribution, and electrode-potential-dependent interfacial response, which makes their physical construction and validation particularly demanding. Here, we introduce DPχ, a charge-based machine-learn...

Jun-Xian Chen, Tao Wang · 1 citation

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